| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:26 UTC |
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| Update Date | 2025-03-25 00:57:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227560 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12OS |
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| Molecular Mass | 180.0609 |
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| SMILES | CC(=O)CCSc1ccccc1 |
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| InChI Key | AMQQWFLSHDKPPI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | thiophenols |
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| Subclass | thiophenols |
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| Direct Parent | thiophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkylarylthioethersbenzene and substituted derivativeshydrocarbon derivativesketonesorganic oxidessulfenyl compoundsthiophenol ethers |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfenyl compoundalkylarylthioetherorganosulfur compoundaryl thioetherketonearomatic homomonocyclic compoundorganic oxidethiophenolorganic oxygen compoundthioetherthiophenol etherhydrocarbon derivativeorganooxygen compound |
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